2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-1H-benzimidazol-6-yl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-1H-benzimidazol-6-yl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-1H-benzimidazol-6-yl)acetamide
Compound characteristics
| Compound ID: | J047-0457 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-1H-benzimidazol-6-yl)acetamide |
| Molecular Weight: | 418.48 |
| Molecular Formula: | C21 H18 N6 O2 S |
| Smiles: | Cc1nc2ccc(cc2[nH]1)NC(CSc1nnc(c2cc3ccccc3o2)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4756 |
| logD: | 3.4707 |
| logSw: | -3.7225 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.397 |
| InChI Key: | BEYGIPNGSIJHRV-UHFFFAOYSA-N |